(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide

C10H20N2OS — CID 143486954

IUPAC(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
SMILESCC[C@@H]1CCCN(C(=O)NCCS)C1
InChIInChI=1S/C10H20N2OS/c1-2-9-4-3-6-12(8-9)10(13)11-5-7-14/h9,14H,2-8H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyKLIASHOYHUYNDO-SECBINFHSA-N
MW216.35 g/mol
LogP1.75
Rot. Bonds3

About (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide

(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide (PubChem CID 143486954) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
PubChem CID143486954
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
SMILESCC[C@@H]1CCCN(C(=O)NCCS)C1
InChIInChI=1S/C10H20N2OS/c1-2-9-4-3-6-12(8-9)10(13)11-5-7-14/h9,14H,2-8H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyKLIASHOYHUYNDO-SECBINFHSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methyl-2-methylsulfanylpropyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 71868349
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433
4-methyl-~{N}-pentyl-piperidine-1-carboxamide
CID 108987973
6-thiomethyl-N-n-hexylurea
CID 129819599
(3S,5R)-3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99813032
(3S,5S)-3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99813033
(3R,5R)-3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99813034
3,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 102555273
4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 103622835
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 113225959

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide (CID 143486954) is (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide is CC[C@@H]1CCCN(C(=O)NCCS)C1.
What is the InChIKey of (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide?
The InChIKey is KLIASHOYHUYNDO-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-9-4-3-6-12(8-9)10(13)11-5-7-14/h9,14H,2-8H2,1H3,(H,11,13)/t9-/m1/s1.
What are the key properties of (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide?
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 143486954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).